Chemical dynamics simulations of X - + CH 3Y → XCH 3 + Y - gas-phase S N2 nucleophilic substitution reactions. Nonstatistical dynamics and nontraditional reaction mechanisms

Journal of Physical Chemistry A

Volumn 116, Issue 12, 2012, Pages 3061-3080

  Manikandan, Paranjothy ^a   Zhang, Jiaxu ^a   Hase, William L ^a  

^a TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION RATE CONSTANTS; ATOMIC LEVELS; ATOMIC-LEVEL MECHANISMS; AVAILABLE ENERGY; CHEMICAL DYNAMICS; DIRECT MECHANISM; EXPERIMENTAL MEASUREMENTS; GASPHASE; HALOGEN ATOMS; HIGHER FREQUENCIES; INTERMOLECULAR MODES; LOW FREQUENCY; NONSTATISTICAL DYNAMICS; NUCLEOPHILIC SUBSTITUTION REACTIONS; POST REACTION; POTENTIAL ENERGY MINIMA; REACTION MECHANISM; STATISTICAL THEORY; TEMPERATURE DEPENDENCIES; THEORETICAL MODELS; TRANSLATIONAL ENERGY; UNIMOLECULAR DECOMPOSITIONS; VIBRATIONAL EXCITATION; WEAK COUPLINGS;

ATOMS; COMPUTER SIMULATION; DECOMPOSITION; ENERGY TRANSFER; QUANTUM CHEMISTRY; RATE CONSTANTS; SUBSTITUTION REACTIONS;

DYNAMICS;

EID: 84859253094     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp211387c     Document Type: Article

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